2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
TL;DR: 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile (CAS 625376-14-9) is a chemical compound with molecular formula C17H10N4O7 and molecular weight 382.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
Also Known As: 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile, 2'-Amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-8'H-spiro[indoline-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile, 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile, Spiro 4-[2-amino-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-6]pyran-3-carbonitrile]-3''-[1',3'-dihydro-5'-nitro-2h-indol-2'-one]
| Molecular Formula | C17H10N4O7 |
|---|---|
| Molecular Weight | 382.05 g/mol |
| LogP | 0.36478 |
| Topological Polar Surface Area | 181.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.05496 |
| Heavy Atoms | 28 |
| Complexity | 1206.9623 |
Chemical Identifiers
| CAS Number | 625376-14-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C3(C(=C(OC4=C3OC(=CC4=O)CO)N)C#N)C(=O)N2 |
Product Overview
2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile (CAS 625376-14-9), with molecular formula C17H10N4O7 and molecular weight 382.05 g/mol. IUPAC: 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile.
Chemical Property Profile of 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
Property Insights of 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
The XLogP value of 0.36478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile. The TPSA of 181.72 Ų indicates high polarity, suggesting 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile?
The CAS number of 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile is 625376-14-9.
What is the molecular formula of 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile?
The molecular formula of 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile is C17H10N4O7.
What is the molecular weight of 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile?
The molecular weight of 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile is 382.05 g/mol.
Where can I buy 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile?
You can request a quote for 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2'-amino-6'-(hydroxymethyl)-5-nitro-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.